CID 12007692

24614-21-9

Structural Information

Molecular Formula

C₇H₅BrN₂OS

SMILES

C1=C(OC(=C1)Br)C2=CSC(=N2)N

InChI

InChI=1S/C7H5BrN2OS/c8-6-2-1-5(11-6)4-3-12-7(9)10-4/h1-3H,(H2,9,10)

InChIKey

JHRJHHTUQFDOIA-UHFFFAOYSA-N

Compound name

4-(5-bromofuran-2-yl)-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 243.9306 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	244.93788	136.2
[M+Na]+	266.91982	152.0
[M-H]-	242.92332	146.5
[M+NH4]+	261.96442	159.2
[M+K]+	282.89376	141.7
[M+H-H2O]+	226.92786	136.8
[M+HCOO]-	288.92880	157.4
[M+CH3COO]-	302.94445	153.6
[M+Na-2H]-	264.90527	141.2
[M]+	243.93005	158.4
[M]-	243.93115	158.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.